Geometry & MOs

Info

ID:	88798
PubChem CID:	49956870
Reduced:	BrFSN3O3H21C24 (1)
Stoich.:	ABCD3E3F21G24 (1)
Weight, g/mol:	432.204907
ΔH_f, kcal/mol:	-99.02
Dipole, Da:	7.44
IP(EA), eV:	-8.88(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-3-[2-(4-phenylphenoxy)propanoylamino]benzamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations